UCSF

ZINC58632138

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -4.94 -3.9 -464.69 5 24 -5 386 662.1 12
Mid Mid (pH 6-8) -4.94 -2.74 -628.77 4 24 -6 389 661.092 12

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 5.58e+00 g/l DrugBank-experimental
UniProt Database Links APS1_SCHPO; DDP1_YEAST; NUD10_HUMAN; NUD10_MOUSE; NUD11_BOVIN; NUD11_HUMAN; NUD11_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0178113A1; EP0640686A3; US4740458; US5424204; WO1988008984A1 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )